Geometry & MOs

Info

ID:	137993
PubChem CID:	52296356
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	363.071134
ΔH_f, kcal/mol:	62.96
Dipole, Da:	4.73
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H]1[N+](=O)[O-])C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations